3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide

C11H18N2O3S — CID 93081295

IUPAC3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N[C@@H](C)CO
InChIInChI=1S/C11H18N2O3S/c1-7-4-5-10(12)9(3)11(7)17(15,16)13-8(2)6-14/h4-5,8,13-14H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyOUTZIPJWAWZYPV-QMMMGPOBSA-N
MW258.34 g/mol
LogP0.54
Rot. Bonds4

About 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide

3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide (PubChem CID 93081295) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
PubChem CID93081295
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N[C@@H](C)CO
InChIInChI=1S/C11H18N2O3S/c1-7-4-5-10(12)9(3)11(7)17(15,16)13-8(2)6-14/h4-5,8,13-14H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyOUTZIPJWAWZYPV-QMMMGPOBSA-N
XLogP0.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64630177
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
CID 106165818
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758445
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
N-[(2R)-1-hydroxypropan-2-yl]-2,4,6-trimethyl-3-nitrobenzenesulfonamide
CID 104861889
3-amino-2,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982653
3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 43257149
2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide (CID 93081295) is 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)N[C@@H](C)CO.
What is the InChIKey of 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is OUTZIPJWAWZYPV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-4-5-10(12)9(3)11(7)17(15,16)13-8(2)6-14/h4-5,8,13-14H,6,12H2,1-3H3/t8-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide?
3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 93081295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).